8-(4-methylphenyl)sulfonyl-4-(quinolin-4-ylmethyl)-8-azabicyclo[4.3.1]dec-3-en-10-one

Systemtic Name: 8-(4-methylphenyl)sulfonyl-4-(quinolin-4-ylmethyl)-8-azabicyclo[4.3.1]dec-3-en-10-one Openeye Name: 8-(p-tolylsulfonyl)-4-(4-quinolylmethyl)-8-azabicyclo[4.3.1]dec-3-en-10-one CAS Name: 8-(4-methylphenyl)sulfonyl-4-(4-quinolinylmethyl)-8-azabicyclo[4.3.1]dec-3-en-10-one IUPAC Name: 8-(4-methylphenyl)sulfonyl-4-(quinolin-4-ylmethyl)-8-azabicyclo[4.3.1]dec-3-en-10-one Traditional Name: 4-(4-quinolylmethyl)-8-tosyl-8-azabicyclo[4.3.1]dec-3-en-10-one Formula: C26H26N2O3S MolecularWeight: 446.56124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3CC=C(CC(C2)C3=O)CC4=CC=NC5=CC=CC=C45

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3CC=C(CC(C2)C3=O)CC4=CC=NC5=CC=CC=C45

InChI

InChI=1S/C26H26N2O3S/c1-18-6-10-23(11-7-18)32(30,31)28-16-21-9-8-19(15-22(17-28)26(21)29)14-20-12-13-27-25-5-3-2-4-24(20)25/h2-8,10-13,21-22H,9,14-17H2,1H3